Information card for entry 7245071

Structure parameters

• Formula: C11 H9 N3 O5
• Calculated formula: C11 H9 N3 O5
• SMILES: O=C1NC(=O)NC=C1C(O)c1ccc(cc1)N(=O)=O
• Title of publication: Uracil derivatives as HIV-1 capsid protein inhibitors: design, in silico, in vitro and cytotoxicity studies
• Authors of publication: Ramesh, Deepthi; Mohanty, Amaresh Kumar; De, Anirban; Vijayakumar, Balaji Gowrivel; Sethumadhavan, Aiswarya; Muthuvel, Suresh Kumar; Mani, Maheswaran; Kannan, Tharanikkarasu
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 27
• Pages of publication: 17466 - 17480
• a: 12.1477 ± 0.0018 Å
• b: 7.4576 ± 0.0008 Å
• c: 13.8322 ± 0.0019 Å
• α: 90°
• β: 114.653 ± 0.018°
• γ: 90°
• Cell volume: 1138.9 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0715
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No